Single atom iron promotes CS hydrogenation on interstellar grain analogues
Understanding how sulphur-bearing molecules interact with catalytic grain analogues is relevant to the long-standing problem of sulphur depletion in dense interstellar environments. Here, periodic density functional theory, climbing-image nudged elastic band calculations, and kinetic modelling are used to investigate CS hydrogenation by a single-atom Fe⁰ site on amorphous silica. CS binds strongly to the supported Fe centre, while H2 dissociation is assisted by the Fe–silica
Researchers have investigated how sulfur-bearing molecules react with catalytic grain surfaces in interstellar environments. Using advanced computational methods, they studied the hydrogenation of carbon disulfide (CS) catalyzed by a single iron atom on amorphous silica. The study found that iron strongly binds CS and facilitates the dissociation of hydrogen molecules, leading to the formation of H2CS at low temperatures, even with quantum tunneling.
This research sheds light on the chemical processes involving sulfur in space, which is crucial for understanding the composition of interstellar clouds and the conditions present in planet-forming regions.
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